SCHEMBL4767944

SCHEMBL4767944

CC(=O)N1CCN(C(=O)N2CCCC(NC(=O)C34CC5CC(C3)C(O)C(C5)C4)C2)CC1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 4/20 0.56
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
EPHX2 P34913 4/20 0.38
HSD11B1 P28845 3/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA12 O43570 1/20 0.37
CA9 Q16790 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5441881 1.00 EPHX1 (0.56) EPHX1POLBSMN1; SMN2LMNANPSR1
SCHEMBL4794135 0.92 EPHX1 (0.46) EPHX1SMN1; SMN2LMNANPSR1HSD11B1
SCHEMBL14540867 0.92 EPHX1 (0.46) EPHX1SMN1; SMN2LMNANPSR1HSD11B1
SCHEMBL4793633 0.91 EPHX1 (0.45) EPHX1SMN1; SMN2LMNANPSR1HSD11B1
SCHEMBL5437855 0.90 EPHX1 (0.52) EPHX1SMN1; SMN2LMNANPSR1HSD11B1
SCHEMBL4767981 0.90 EPHX1 (0.43) EPHX1SMN1; SMN2LMNANPSR1HSD11B1
SCHEMBL4768030 0.89 EPHX1 (0.43) EPHX1POLBSMN1; SMN2LMNANPSR1
SCHEMBL4770967 0.89 EPHX1 (0.47) EPHX1SMN1; SMN2LMNANPSR1HSD11B1
SCHEMBL4777331 0.89 HSD11B1 (0.44) EPHX1SMN1; SMN2LMNANPSR1EPHX2
SCHEMBL14540677 0.89 HSD11B1 (0.44) EPHX1SMN1; SMN2LMNANPSR1EPHX2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1931652-A2 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS Incyte Corporation (US) 2008-06-18 EP claimed
WO-2007038138-A2 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2007-04-05 WO claimed
EP-1931652-A2 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS Incyte Corporation (US) 2008-06-18 EP disclosed
WO-2007038138-A2 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2007-04-05 WO disclosed